SCHEMBL9701890

SCHEMBL9701890

CC(C)c1cc(Oc2ccccc2Cl)cc(C(C)C)c1N=C=S

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.40
SLC6A4 P31645 8/20 0.39
HTR2A P28223 7/20 0.39
KCNH2 Q12809 6/20 0.39
AR P10275 3/20 0.38
THRB P10828 2/20 0.34
RORC P51449 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
EZH2 Q15910 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPK14 Q16539 1/20 0.32
THRA P10827 1/20 0.32
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9704630 0.84 AR (0.38) SLC6A4HTR2AKCNH2ARL3MBTL1
SCHEMBL9704788 0.82 XIAP (0.37) XIAPSLC6A4HTR2AKCNH2AR
SCHEMBL10396879 0.82 HPGD (0.41) SLC6A4HTR2AARL3MBTL1LMNA
SCHEMBL9368279 0.81 BCL2 (0.41) GABRA1GABRB2LMNA
SCHEMBL9702388 0.77 XIAP (0.45) XIAPSLC6A4HTR2AKCNH2AR
SCHEMBL5018840 0.71 XIAP (0.54) XIAPSLC6A4HTR2AKCNH2AR
SCHEMBL31544426 0.69 MGLL (0.43) XIAPSLC6A4HTR2AKCNH2AR
SCHEMBL11435322 0.69 P2RX3 (0.49) XIAPSLC6A4HTR2AKCNH2AR
SCHEMBL8845542 0.69 LTA4H (0.40)
SCHEMBL1457748 0.69 GABRA1 (0.48) SLC6A4GABRA1GABRB2SLC6A2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481921-A1 Substituted carbodiimides and thio-ureas and their utilisation against insects CIBA-GEIGY AG (CH) 1992-04-22 EP disclosed